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4-(3,5-dichlorophenoxy)-3-nitrothiobenzoic acid, S-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl) ester

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(3,5-dichlorophenoxy)-3-nitrothiobenzoic acid, S-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl) ester
SpectraBase Compound ID JlEEbgawbiI
InChI InChI=1S/C21H9Cl2F6NO4S/c22-13-7-14(23)9-15(8-13)34-18-2-1-10(3-17(18)30(32)33)19(31)35-16-5-11(20(24,25)26)4-12(6-16)21(27,28)29/h1-9H
InChIKey MWADPSWWDVNGIO-UHFFFAOYSA-N
Mol Weight 556.26 g/mol
Molecular Formula C21H9Cl2F6NO4S
Exact Mass 554.953353 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jYUZvNoSjp
Name 4-(3,5-dichlorophenoxy)-3-nitrothiobenzoic acid, S-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl) ester
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H9Cl2F6NO4S
InChI InChI=1S/C21H9Cl2F6NO4S/c22-13-7-14(23)9-15(8-13)34-18-2-1-10(3-17(18)30(32)33)19(31)35-16-5-11(20(24,25)26)4-12(6-16)21(27,28)29/h1-9H
InChIKey MWADPSWWDVNGIO-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 56781M
Solvent CDCl3